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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kallikrein-7' and Ligand = 'BDBM50460884'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kallikrein-7


(Homo sapiens (Human))		BDBM50460884
PNG
(CHEMBL4228178)
Show SMILES CCCC[C@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C31H40ClN7O3/c1-6-7-11-27(30(40)35-26-10-8-9-21(16-26)24-18-34-38(4)19-24)39-20-29(36-37(2)3)33-17-23(31(39)41)14-22-15-25(32)12-13-28(22)42-5/h8-10,12-13,15-16,18-19,23,27H,6-7,11,14,17,20H2,1-5H3,(H,33,36)(H,35,40)/t23-,27+/m1/s1
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Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...

Bioorg Med Chem Lett 28: 1371-1375 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.011
BindingDB Entry DOI: 10.7270/Q2222XD7
More data for this
Ligand-Target Pair